The paper describes a novel framework, constructed using constraint logic programming and parallelism, to determine the association between parts of the primary sequence of a protein and α-helices extracted from 3-dimensional low-resolution descriptions of large protein complexes. The association is determined by extracting constraints from the 3D information, regarding length, relative position, and connectivity of helices, and solving these constraints with the guidance of a secondary structure prediction algorithm. Parallelism is employed to enhance performance on large proteins. The framework provides a fast, inexpensive alternative to determine the exact tertiary structure of unknown proteins.
A Constraint Logic Programming Approach to 3D Structure Determination of Large Protein Complexes / DAL PALU', Alessandro; Enrico, Pontelli; Jing, He; Yonggang, Lu. - (2006), pp. 131-136. (Intervento presentato al convegno ACM symposium on Applied computing) [10.1145/1141277.1141309].
A Constraint Logic Programming Approach to 3D Structure Determination of Large Protein Complexes
DAL PALU', Alessandro;
2006-01-01
Abstract
The paper describes a novel framework, constructed using constraint logic programming and parallelism, to determine the association between parts of the primary sequence of a protein and α-helices extracted from 3-dimensional low-resolution descriptions of large protein complexes. The association is determined by extracting constraints from the 3D information, regarding length, relative position, and connectivity of helices, and solving these constraints with the guidance of a secondary structure prediction algorithm. Parallelism is employed to enhance performance on large proteins. The framework provides a fast, inexpensive alternative to determine the exact tertiary structure of unknown proteins.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.